Atomfair

Awaiting product image

Atomfair 5H,9H-[1]Benzothieno[2 inverted exclamation marka,3 inverted exclamation marka:5,6][1,4]azaborino[2,3,4-kl]phenazaborine, 2,7,11-tris(1,1-dimethylethyl)-9-[4-(1,1-dimethylethyl)phenyl]-5-[3 inverted exclamation marka,5,5 inverted exclamation marka-tris(1,1-dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-2-yl]- C66H81BN2S CAS 2444308-96-5

5H,9H-[1]Benzothieno[2 inverted exclamation marka,3 inverted exclamation marka:5,6][1,4]azaborino[2,3,4-kl]phenazaborine, 2,7,11-tris(1,1-dimethylethyl)-9-[4-(1,1-dimethylethyl)phenyl]-5-[3 inverted exclamation marka,5,5 inverted exclamation marka-tris(1,1-dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-2-yl]- (CAS: 2444308-96-5) is a highly specialized boron-containing heterocyclic compound with the molecular formula C66H81BN2S . This complex polycyclic structure features multiple tert-butyl substituents, enhancing its steric bulk and potential for applications in materials science and optoelectronics. Its IUPAC name, 4,11,18-tritert-butyl-8-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-14-(4-tert-butylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene , reflects its intricate fused-ring system. The compound is supplied as a high-purity solid, ideal for research in organic electronics, luminescent materials, or as a building block for supramolecular chemistry. Synonyms include EX-A8382 .

Category:

Description

5H,9H-[1]Benzothieno[2 inverted exclamation marka,3 inverted exclamation marka:5,6][1,4]azaborino[2,3,4-kl]phenazaborine, 2,7,11-tris(1,1-dimethylethyl)-9-[4-(1,1-dimethylethyl)phenyl]-5-[3 inverted exclamation marka,5,5 inverted exclamation marka-tris(1,1-dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-2-yl]- (CAS: 2444308-96-5) is a highly specialized boron-containing heterocyclic compound with the molecular formula C66H81BN2S. This complex polycyclic structure features multiple tert-butyl substituents, enhancing its steric bulk and potential for applications in materials science and optoelectronics. Its IUPAC name, 4,11,18-tritert-butyl-8-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-14-(4-tert-butylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene, reflects its intricate fused-ring system. The compound is supplied as a high-purity solid, ideal for research in organic electronics, luminescent materials, or as a building block for supramolecular chemistry. Synonyms include EX-A8382.

Properties

  • CAS Number: 2444308-96-5
  • Complexity: 1760
  • IUPAC Name: 4,11,18-tritert-butyl-8-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-14-(4-tert-butylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene
  • InChI: InChI=1S/C66H81BN2S/c1-60(2,3)41-22-27-48(28-23-41)68-54-38-47(66(19,20)21)39-55-57(54)67(59-58(68)50-36-43(62(7,8)9)26-31-56(50)70-59)51-37-44(63(10,11)12)25-30-53(51)69(55)52-29-24-42(61(4,5)6)35-49(52)40-32-45(64(13,14)15)34-46(33-40)65(16,17)18/h22-39H,1-21H3
  • InChI Key: DCRRWFFQXPARBF-UHFFFAOYSA-N
  • Exact Mass: 944.6213519
  • Molecular Formula: C66H81BN2S
  • Molecular Weight: 945.2
  • SMILES: B12C3=C(C=CC(=C3)C(C)(C)C)N(C4=CC(=CC(=C41)N(C5=C2SC6=C5C=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C)C(C)(C)C)C8=C(C=C(C=C8)C(C)(C)C)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C
  • Topological: 34.7
  • Monoisotopic Mass: 944.6213519
  • Synonyms: EX-A8382, 2444308-96-5, 5H,9H-[1]Benzothieno[2 inverted exclamation marka,3 inverted exclamation marka:5,6][1,4]azaborino[2,3,4-kl]phenazaborine, 2,7,11-tris(1,1-dimethylethyl)-9-[4-(1,1-dimethylethyl)phenyl]-5-[3 inverted exclamation marka,5,5 inverted exclamation marka-tris(1,1-dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-2-yl]-

Application

This boron-nitrogen-sulfur heterocycle is of interest in the development of advanced organic semiconductors due to its extended ฯ€-conjugation and sterically hindered structure. Researchers may explore its potential as an emissive material in OLEDs or as a dopant in charge-transport layers. The tert-butyl groups could impart solubility and processability in thin-film applications. Its unique architecture also makes it a candidate for studying aggregation-induced emission (AIE) phenomena.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products